[1-(5-bromanyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-(5-bromanyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [2-(5-bromo-2-hydroxy-phenyl)-1-methyl-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(5-bromo-2-hydroxy-phenyl)-2-keto-1-methyl-ethyl] ester Formula: C14H18BrNO2S2 MolecularWeight: 376.33222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C)C(=O)C1=C(C=CC(=C1)Br)O

Isomeric SMILES

CCN(CC)C(=S)SC(C)C(=O)C1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C14H18BrNO2S2/c1-4-16(5-2)14(19)20-9(3)13(18)11-8-10(15)6-7-12(11)17/h6-9,17H,4-5H2,1-3H3